COMGENEX-ZINC06869838 MOE2007 3D Structure written by MMmdl. 49 52 0 0 0 0 0 0 0 0999 V2000 -5.0410 -0.5190 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0010 0.8000 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7840 1.4860 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 0.8690 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -0.4630 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 -1.1510 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 1.6090 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 1.0020 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 1.7810 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 3.0970 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 3.6220 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 2.9280 -0.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 5.3570 -0.6950 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 5.8170 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 7.3030 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 7.8660 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 9.2400 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 10.0680 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 9.5380 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 8.1500 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 10.4370 2.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 9.8830 3.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 1.2600 0.5650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -0.1640 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 -0.3870 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 0.4530 0.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 1.8340 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.1680 0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9860 -1.0520 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9150 1.3000 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 2.5170 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -0.9830 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 -2.1780 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -0.0470 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 5.2880 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 5.5000 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 7.2360 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 9.6710 -1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 11.1390 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 7.7320 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -0.4940 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 -0.7890 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 -0.1970 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 -1.4270 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 2.0560 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4780 2.4340 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 3.2290 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 2.0170 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 11.6720 2.1310 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M CHG 1 49 -1 M END